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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL292284
CHEMBL292284
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H36O3

Additional synonyms for CHEMBL292284 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CC2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(CC(=O)C)C(=O)C)[C@@ ...
Download SMILES
Standard InChI InChI=1S/C25H36O3/c1-15-12-19-20(23(4)9-6-18(28)13-22(15)23) ...
Download InChI
Standard InChI Key GKQWMOXIBZCMDJ-PWZOGDDVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL292284

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.6 384.2664 5.32 3 51.21 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.84 3.84 0 28 0.66

Structural Alerts

There are 3 structural alerts for CHEMBL292284. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GKQWMOXIBZCMDJ-PWZOGDDVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL292284



BindingDB 50129152
PubChem 44305556

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GKQWMOXIBZCMDJ-PWZOGDDVSA-N spacer
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